N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide

C25H25N5O3 — CID 53065324

IUPACN-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESCc1nc2cc(-c3noc(CNC(=O)Cc4ccccc4)n3)ccc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H25N5O3/c1-16-25(32)30(19-9-5-6-10-19)21-12-11-18(14-20(21)27-16)24-28-23(33-29-24)15-26-22(31)13-17-7-3-2-4-8-17/h2-4,7-8,11-12,14,19H,5-6,9-10,13,15H2,1H3,(H,26,31)
InChIKeyAWFZNMZVVWQNRE-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.73
Rot. Bonds6

About N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide

N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (PubChem CID 53065324) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
PubChem CID53065324
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESCc1nc2cc(-c3noc(CNC(=O)Cc4ccccc4)n3)ccc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H25N5O3/c1-16-25(32)30(19-9-5-6-10-19)21-12-11-18(14-20(21)27-16)24-28-23(33-29-24)15-26-22(31)13-17-7-3-2-4-8-17/h2-4,7-8,11-12,14,19H,5-6,9-10,13,15H2,1H3,(H,26,31)
InChIKeyAWFZNMZVVWQNRE-UHFFFAOYSA-N
XLogP3.73
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide with MolForge

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Related Compounds

N-[[3-(3-methyl-2-oxo-1-propan-2-ylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53065210
1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065353
2-(4-chlorophenyl)-N-[[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586359
N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53065853
1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065362
1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one
CID 53005922
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
2-(4-chlorophenyl)-N-[[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586334
N-[[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 20933995
N-[[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 22586361
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (CID 53065324) is N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is Cc1nc2cc(-c3noc(CNC(=O)Cc4ccccc4)n3)ccc2n(C2CCCC2)c1=O.
What is the InChIKey of N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The InChIKey is AWFZNMZVVWQNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-25(32)30(19-9-5-6-10-19)21-12-11-18(14-20(21)27-16)24-28-23(33-29-24)15-26-22(31)13-17-7-3-2-4-8-17/h2-4,7-8,11-12,14,19H,5-6,9-10,13,15H2,1H3,(H,26,31).
What are the key properties of N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide has a molecular weight of 443.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 53065324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).